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2-Amino-3-[(3-cyanophenyl)sulfonylamino]benzamide

E3L031682
Internal ID: BDB031682
Activity data available Local docking-ready structure
Dock with Q66K64
Structure
/e3_file/ligand_db/generated/BDB031682/BDB031682.sdf
Basic Properties
Compound ID
E3L031682
Internal ID
BDB031682
Molecular formula
C14H12N4O3S
Molecular weight
316.342000
Exact mass
316.063011
XLogP
1.0402
TPSA
139.0700
HBA / HBD
5 / 3
Rotatable bonds
4
Heavy atoms / rings
22 / 2
Activity summary
EC50 > 10000.00000000 nM
1 activity record(s) imported
InChIKey
AYNUYDLMORPUTN-UHFFFAOYSA-N
SMILES
N#Cc1cccc(S(=O)(=O)Nc2cccc(C(N)=O)c2N)c1
Aliases
BDBM633558 (preferred) 2-Amino-3-[(3-cyanophenyl)sulfonylamino]benzamide (source_name) BDBM633558 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q66K64 DCAF15;C19orf72
DDB1- and CUL4-associated factor 15		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM633558 medium
; target=DDB1- and CUL4-associated factor 15
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM633558 Open - 10.7270/Q2MW2N8C
PubChem CID139366358 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready N#Cc1cccc(S(=O)(=O)Nc2cccc(C(N)=O)c2N)c1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB031682/BDB031682.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB031682/BDB031682.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB031682/BDB031682.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB031682/BDB031682.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB031682/BDB031682.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
DDB1- and CUL4-associated factor 15
Q66K64
E3 ligase component 		BindingDB:BDBM633558 EC50 >10000 nM Low DOI: 10.7270/Q2MW2N8C 1